1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C24H27N2O5S+ MolecularWeight: 455.54658

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=C(C=CC5=CC=CC=C54)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=C(C=CC5=CC=CC=C54)O)OC1

InChI

InChI=1S/C24H26N2O5S/c27-22-8-6-18-4-1-2-5-20(18)21(22)17-25-10-12-26(13-11-25)32(28,29)19-7-9-23-24(16-19)31-15-3-14-30-23/h1-2,4-9,16,27H,3,10-15,17H2/p+1